2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide

C14H10F2N2O4S — CID 146278258

IUPAC2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc2onc(NS(=O)(=O)c3c(F)cccc3F)c12
InChIInChI=1S/C14H10F2N2O4S/c1-21-10-6-3-7-11-12(10)14(17-22-11)18-23(19,20)13-8(15)4-2-5-9(13)16/h2-7H,1H3,(H,17,18)
InChIKeyWLDHYWNLXLULBY-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.92
Rot. Bonds4

About 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide

2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide (PubChem CID 146278258) has the molecular formula C14H10F2N2O4S and a molecular weight of 340.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
PubChem CID146278258
Molecular FormulaC14H10F2N2O4S
Molecular Weight340.31 g/mol
Exact Mass340.03
IUPAC Name2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc2onc(NS(=O)(=O)c3c(F)cccc3F)c12
InChIInChI=1S/C14H10F2N2O4S/c1-21-10-6-3-7-11-12(10)14(17-22-11)18-23(19,20)13-8(15)4-2-5-9(13)16/h2-7H,1H3,(H,17,18)
InChIKeyWLDHYWNLXLULBY-UHFFFAOYSA-N
XLogP2.92
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide (CID 146278258) is 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide is COc1cccc2onc(NS(=O)(=O)c3c(F)cccc3F)c12.
What is the InChIKey of 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
The InChIKey is WLDHYWNLXLULBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4S/c1-21-10-6-3-7-11-12(10)14(17-22-11)18-23(19,20)13-8(15)4-2-5-9(13)16/h2-7H,1H3,(H,17,18).
What are the key properties of 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide has a molecular weight of 340.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 146278258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).